2-[(4,6-dimethoxypyrimidin-2-yl)-phenyl-methyl]sulfanyl-3-methyl-imidazole-4-carboxylic acid

Systemtic Name: 2-[(4,6-dimethoxypyrimidin-2-yl)-phenyl-methyl]sulfanyl-3-methyl-imidazole-4-carboxylic acid Openeye Name: 2-[(4,6-dimethoxypyrimidin-2-yl)-phenyl-methyl]sulfanyl-3-methyl-imidazole-4-carboxylic acid CAS Name: 2-[[(4,6-dimethoxy-2-pyrimidinyl)-phenylmethyl]thio]-3-methyl-4-imidazolecarboxylic acid IUPAC Name: 2-[(4,6-dimethoxypyrimidin-2-yl)-phenylmethyl]sulfanyl-3-methylimidazole-4-carboxylic acid Traditional Name: 2-[[(4,6-dimethoxypyrimidin-2-yl)-phenyl-methyl]thio]-3-methyl-imidazole-4-carboxylic acid Formula: C18H18N4O4S MolecularWeight: 386.42492

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN=C1SC(C2=CC=CC=C2)C3=NC(=CC(=N3)OC)OC)C(=O)O

Isomeric SMILES

CN1C(=CN=C1SC(C2=CC=CC=C2)C3=NC(=CC(=N3)OC)OC)C(=O)O

InChI

InChI=1S/C18H18N4O4S/c1-22-12(17(23)24)10-19-18(22)27-15(11-7-5-4-6-8-11)16-20-13(25-2)9-14(21-16)26-3/h4-10,15H,1-3H3,(H,23,24)